Glycoside
GD134004
Name:
AscamycinFormula:
C14H18O7N7ClSSmiles:
CC(N)C(O)=NS(=O)(=O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1OAglycone:
COS(=O)(=O)N=C(O)C(C)N.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.85 | Num_heavy_atoms: | 29 |
| TPSA: | 221.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD54212
Formula: C4H10O4N2S
Smiles:
COS(=O)(=O)N=C(O)C(C)N| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.2 | Num_heavy_atoms: | 11 |
| TPSA: | 101.98 | NumAromaticRings: | 0 |
